Sugi Predict

Sugi Predict / Compounds / SCHEMBL13876140

SCHEMBL13876140

SCHEMBL13876140

CCn1c(=O)n(Cc2ccccc2)c2nc(Cl)nc(N3CCNCC3)c21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.52
▸ P2RX3 P56373 2/20 0.48
▸ ADORA2A P29274 3/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ HTR6 P50406 3/20 0.46
▸ ADORA2B P29275 2/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ HTR3A P46098 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13876136 0.92 DPP4 (0.48) DPP4P2RX3ADORA1ADORA3ADORA2B
SCHEMBL13866891 0.87 DPP4 (0.60) DPP4P2RX3HTR6
SCHEMBL13866871 0.86 DPP4 (0.64) DPP4P2RX3HTR6
SCHEMBL13875681 0.84 DPP4 (0.42) DPP4P2RX3HTR6PIM1
SCHEMBL13875677 0.83 P2RX3 (0.43) DPP4P2RX3PIM1
SCHEMBL13875678 0.82 P2RX3 (0.40) DPP4P2RX3ADORA2AADORA1ADORA3
Trifluoroacetic Acid SCHEMBL3885741 0.81 DPP4 (0.53) DPP4P2RX3HTR6
SCHEMBL13875834 0.81 DPP4 (0.46) DPP4PIM1
SCHEMBL13875679 0.81 DPP4 (0.35) DPP4P2RX3ADORA2AADORA2BPIM1
SCHEMBL13876123 0.80 P2RX3 (0.42) DPP4P2RX3PIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 — — US disclosed